An ab initio study of the influence of s
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Charles W. Bock; Mendel Trachtman; Philip George
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Article
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1981
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John Wiley and Sons
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English
β 597 KB
The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH